| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FF0X003442 |
| EPA CompTox | DTXSID9022077 |
| InChI Key | DCNUQRBLZWSGAV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11N1O1 |
| Molecular Weight | 197.08 |
| AlogP | 2.98 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.31 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 607-00-1 |
| NORMAN SUSDAT | |
| FDA SRS | FF0X003442 |
| PubChem | 69081 |
| ChemSpider | 62300.0 |